1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one

C10H16N2O2 — CID 60878575

IUPAC1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one
SMILESCCC(O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H16N2O2/c1-4-9(13)6-12-8(3)5-7(2)11-10(12)14/h5,9,13H,4,6H2,1-3H3
InChIKeyUUDXMKGHGBFCJA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds3

About 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one

1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 60878575) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one
PubChem CID60878575
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one
SMILESCCC(O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H16N2O2/c1-4-9(13)6-12-8(3)5-7(2)11-10(12)14/h5,9,13H,4,6H2,1-3H3
InChIKeyUUDXMKGHGBFCJA-UHFFFAOYSA-N
XLogP0.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one (CID 60878575) is 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one is CCC(O)Cn1c(C)cc(C)nc1=O.
What is the InChIKey of 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is UUDXMKGHGBFCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-9(13)6-12-8(3)5-7(2)11-10(12)14/h5,9,13H,4,6H2,1-3H3.
What are the key properties of 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one?
1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 60878575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).